Compound Identification
SMILES
CC(CO[N+]([O-])=O)=CC=O
InChIKey
InChIKey=FHQODWHGFJXLCS-UHFFFAOYSA-N
Formula
C5H7NO4
Mass
145.114
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
Level 6
Alpha,beta-unsaturated aldehydes
- Level 7 Enals
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Level 6
Alpha,beta-unsaturated aldehydes
-
Level 5
Alpha,beta-unsaturated carbonyl compounds
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
Direct Parent
Enals
Alternative Parents
Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alkyl nitrate - Organic nitrate - Enal - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aldehyde - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
External Descriptors
Not available